<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">349048</id>
  <title nil="true"/>
  <common-name>2-amino-1-(3-bromophenyl)-4-(9-methylcarbazol-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3571506</pubchem-id>
  <chemical-formula>C29H23BrN4O</chemical-formula>
  <weight>523.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T13:24:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T13:24:39Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN1C2=CC=CC=C2C3=C1C=C(C=C3)C4C(=C(N(C5=C4C(=O)CCC5)C6=CC(=CC=C6)Br)N)C#N</moldb-smiles>
  <moldb-formula>C29H23BrN4O</moldb-formula>
  <moldb-inchi>InChI=1S/C29H23BrN4O/c1-33-23-9-3-2-8-20(23)21-13-12-17(14-25(21)33)27-22(16-31)29(32)34(19-7-4-6-18(30)15-19)24-10-5-11-26(35)28(24)27/h2-4,6-9,12-15,27H,5,10-11,32H2,1H3</moldb-inchi>
  <moldb-inchikey>FOJAJIJPZIZKMM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">522.10552</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM344941</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-amino-1-(3-bromophenyl)-4-(9-methylcarbazol-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass>Phenylquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0299375</sync-id>
  <structure-inchikey>FOJAJIJPZIZKMM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000480000000000000000000000000000000000000004000000100000000000000000020000000000000000000000000000000000000000004000000000000000000080008000100400000000020001020400000000000800001000200000200000000000000000001100008000400020100000000000000000000100801004040000080800000000000804000001000000100000000000000000001040000000000000400040000089000000000040000004400000000000000000000000000040200000000000100200000000002000000000204200210000000000010004040000000000040000220000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������#���(���€���`������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@h�������@(������@h�������@h��������`�������(�������(�������(�������(�������(�������(�������(�������`�������`�������`������@(������@h�������@(������@h�������@h�������@h������#� ������h��������(�������(�����������h���h���h���h���h���h���h��	h�	
h�
�h���h��h���������(��� �� ��(��� ��(������������ ��h���h���h���h���h�����  �! !"(�	�h���h��h���������h�B���������	��������
���	�������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:47:14Z</structure-indexed-at>
</compound>
